[6-[(2-methylphenyl)methylsulfanyl]pyridin-3-yl]-pyrrolidin-1-yl-methanone

Systemtic Name: [6-[(2-methylphenyl)methylsulfanyl]pyridin-3-yl]-pyrrolidin-1-yl-methanone Openeye Name: [6-(o-tolylmethylsulfanyl)-3-pyridyl]-pyrrolidin-1-yl-methanone CAS Name: [6-[(2-methylphenyl)methylthio]-3-pyridinyl]-(1-pyrrolidinyl)methanone IUPAC Name: [6-[(2-methylphenyl)methylsulfanyl]pyridin-3-yl]-pyrrolidin-1-ylmethanone Traditional Name: [6-[(2-methylbenzyl)thio]-3-pyridyl]-pyrrolidino-methanone Formula: C18H20N2OS MolecularWeight: 312.4292

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CSC2=NC=C(C=C2)C(=O)N3CCCC3

Isomeric SMILES

CC1=CC=CC=C1CSC2=NC=C(C=C2)C(=O)N3CCCC3

InChI

InChI=1S/C18H20N2OS/c1-14-6-2-3-7-16(14)13-22-17-9-8-15(12-19-17)18(21)20-10-4-5-11-20/h2-3,6-9,12H,4-5,10-11,13H2,1H3